CID 43419

2-benzofuranacetamide, n-cyclohexyl-3,6-dihydroxy-, diacetate

Structural Information

Molecular Formula
C20H23NO6
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=C(O2)CC(=O)NC3CCCCC3)OC(=O)C
InChI
InChI=1S/C20H23NO6/c1-12(22)25-15-8-9-16-17(10-15)27-18(20(16)26-13(2)23)11-19(24)21-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,21,24)
InChIKey
MREVRGPMACJLQG-UHFFFAOYSA-N
Compound name
[3-acetyloxy-2-[2-(cyclohexylamino)-2-oxoethyl]-1-benzofuran-6-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.15253 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15981 186.5
[M+Na]+ 396.14175 190.9
[M-H]- 372.14525 194.2
[M+NH4]+ 391.18635 199.2
[M+K]+ 412.11569 190.2
[M+H-H2O]+ 356.14979 178.9
[M+HCOO]- 418.15073 205.2
[M+CH3COO]- 432.16638 218.1
[M+Na-2H]- 394.12720 186.1
[M]+ 373.15198 189.8
[M]- 373.15308 189.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.